On Feb 22, 2007, at 3:30 AM, Egon Willighagen wrote:
I am looking for something like Spartan or Chem3d, something that
will do
rudimentary minimizations. It must also export PDB files. A nice
GUI is
preferred as well."
Unfortunately, the closest thing I can imagine is ArgusLab at the
moment. That's free-as-in-beer, not open source.
Of course I also recommended Ghemical, which now has a test Windows
interface. And as many of you know, I'm working on Avogadro, which is
a Qt-based molecular editor (and thus cross-platform). Avogadro isn't
quite ready for prime time, but it promises to be really good. (Hey,
I'm biased.)
Cheers,
-Geoff
_______________________________________________
Blue-obelisk mailing list
Blue-obelisk@hardly.cubic.uni-koeln.de
http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk
